1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol

C18H19N3O — CID 158273269

IUPAC1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cc(C3=NCc4ccccc43)ccn2)CC1
InChIInChI=1S/C18H19N3O/c22-15-6-9-21(10-7-15)17-11-13(5-8-19-17)18-16-4-2-1-3-14(16)12-20-18/h1-5,8,11,15,22H,6-7,9-10,12H2
InChIKeyGJHOWLMQNMZHCG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.39
Rot. Bonds2

About 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol

1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol (PubChem CID 158273269) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
PubChem CID158273269
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cc(C3=NCc4ccccc43)ccn2)CC1
InChIInChI=1S/C18H19N3O/c22-15-6-9-21(10-7-15)17-11-13(5-8-19-17)18-16-4-2-1-3-14(16)12-20-18/h1-5,8,11,15,22H,6-7,9-10,12H2
InChIKeyGJHOWLMQNMZHCG-UHFFFAOYSA-N
XLogP2.39
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 159248411
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
3-(2-fluoro-4-pyridinyl)-1H-isoindole
CID 157451126
1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477110
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 147891410
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 157123664
4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine
CID 147824254

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol (CID 158273269) is 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol is OC1CCN(c2cc(C3=NCc4ccccc43)ccn2)CC1.
What is the InChIKey of 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is GJHOWLMQNMZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-15-6-9-21(10-7-15)17-11-13(5-8-19-17)18-16-4-2-1-3-14(16)12-20-18/h1-5,8,11,15,22H,6-7,9-10,12H2.
What are the key properties of 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol?
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 293.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 158273269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).